Vitas-M small molecule compound
methyl 2-(3-{(Z)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK157288
SMILES C#CCN1C(=O)S/C(=C\c2cc(n(c2C)c2ccccc2C(=O)OC)C)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c1-5-10-22-19(24)18(28-21(22)26)12-15-11-13(2)23(14(15)3)17-9-7-6-8-16(17)20(25)27-4/h1,6-9,11-12H,10H2,2-4H3/b18-12-InChIKey
VPADJYZMTROALZ-PDGQHHTCSA-NSynonyms
C#CCN1C(=O)SC(=Cc2cc(n(c2C)c2ccccc2C(=O)OC)C)C1=O
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC#C
InChI=1SC21H18N2O4Sc15102219(24)18(2821(22)26)12151113(2)23(14(15)3)17976816(17)20(25)274h1691112H10H224H3b1812
METHYL2(3((Z)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL2(3((Z)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD03226841
ZINC000013881614
ZINC13881614
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